LE3
Summary
| Name: | N-{4-[(R)-methylsulfinyl]butyl}thioformamide |
| Synonyms: | L-Sulforaphane, bound form |
| Formula: | C6 H13 N O S2 |
| Formal charge: | 0 |
| Formula weight: | 179.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[(R)-methylsulfinyl]butyl}thioformamide |
| OpenEye OEToolkits | 1.7.2 | N-[4-[(R)-methylsulfinyl]butyl]methanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(CCCCNC=S)C |
| InChI | InChI | 1.03 | InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | ZWRKPZDQBQKJAE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[S@@](=O)CCCCNC=S |
| SMILES | CACTVS | 3.370 | C[S](=O)CCCCNC=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[S@@](=O)CCCCNC=S |
| SMILES | OpenEye OEToolkits | 1.7.2 | CS(=O)CCCCNC=S |
